CAS 2491-20-5

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Also known as: 2491-20-5, H-ala-ome.hcl, (s)-methyl 2-aminopropanoate hydrochloride, Methyl l-alaninate hydrochloride, Mfcd00063663, L-alanine methyl ester, hcl

Molecular Formula

C₄H₁₀ClNO₂

Molecular Weight

139.58 g/mol

InChI Key

IYUKFAFDFHZKPI-DFWYDOINSA-N

1 2D Structure

CAS 2491-20-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl (2S)-2-aminopropanoate;hydrochloride

2.1.2 InChI

InChI=1S/C4H9NO2.ClH/c1-3(5)4(6)7-2;/h3H,5H2,1-2H3;1H/t3-;/m0./s1

2.1.3 InChI Key

IYUKFAFDFHZKPI-DFWYDOINSA-N

2.1.4 Canonical SMILES

CC(C(=O)OC)N.Cl

2.1.5 Isomeric SMILES

C[C@@H](C(=O)OC)N.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 2491-20-5

2. H-ala-ome.hcl

3. (s)-methyl 2-aminopropanoate Hydrochloride

4. Methyl L-alaninate Hydrochloride

5. Mfcd00063663

6. L-alanine Methyl Ester, Hcl

7. Alanine Methyl Ester Hydrochloride

8. L-alanine, Methyl Ester, Hydrochloride

9. Methyl (2s)-2-aminopropanoate;hydrochloride

10. Methyl L-alaninate Hcl

11. H-ala-ome Hcl

12. Methyl (2s)-2-aminopropanoate Hydrochloride

13. Methyl Alaninate Hydrochloride

14. L-alanine Methyl Ester Hcl

15. H-ala-ome Hydrochloride

16. Methyl Dl-2-aminopropanoate Hydrochloride

17. Ala-ome.hcl

18. (s)-2-aminopropionic Acid Methyl Ester Hydrochloride

19. L-ala-ome.hcl

20. (s)-methyl 2-aminopropanoate Hcl Salt

21. D-ala-ome⋅hcl

22. H-ala-och3.hcl

23. L-ala-ome Hcl

24. L-alanine Methyl Ester Hydrochloride Salt

25. Schembl101772

26. Chembl1222063

27. L-alanine Methyl Ester Hcl Salt

28. (s)-methyl 2-aminopropanoate Hcl

29. Act02716

30. Act07687

31. Hy-i0519

32. L-alanine-methyl Ester Hydrochloride

33. Ac7812

34. Akos015846265

35. Akos015892707

36. Methyl Alaninate Hydrogen Chloride Salt

37. (1)-alanine Methyl Ester Hydrochloride

38. (l)-alanine Methyl Ester Hydrochloride

39. Cs-w008772

40. (l)-alanine, Methyl Ester, Hydrochloride

41. Ac-36702

42. As-12762

43. Sy005420

44. L-alanine Methyl Ester Hydrochloride, 99%

45. (s)-methyl 2-aminopropanoate, Hydrochloride

46. Am20090283

47. (+/-)-alanine Methyl Ester Hydrochloride Salt

48. 91a205

49. L-alanine, Methyl Ester, Hydrochloride (1:1)

50. M02946

51. 491a205

52. J-300012

53. (s)-2-amino-propionic Acid Methyl Ester Hydrochloride

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₄H₁₀ClNO₂
Molecular Weight	139.58 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	139.0400063 g/mol
Monoisotopic Mass	139.0400063 g/mol
Topological Polar Surface Area	52.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	72.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2